PmeGpuGridParams Struct Reference

#include <gromacs/ewald/pme_gpu_types.h>

Description

A GPU data structure for storing the PME data related to the grid sizes and cut-off. This only has to be updated at every DD step.

Public Attributes
float	ewaldFactor
	Ewald solving factor = (M_PI / pme->ewaldcoeff_q)^2.
int	realGridSize [DIM]
	Real-space grid data dimensions.
float	realGridSizeFP [DIM]
	Real-space grid dimensions, only converted to floating point.
int	realGridSizePadded [DIM]
	Real-space grid dimensions (padded). The padding as compared to realGridSize includes the (order - 1) overlap.
int	complexGridSize [DIM]
	Fourier grid dimensions. This counts the complex numbers!
int	complexGridSizePadded [DIM]
	Fourier grid dimensions (padded). This counts the complex numbers!
int	localComplexGridSize [DIM]
	Local Fourier grid dimensions. This counts the complex numbers!
int	localComplexGridSizePadded [DIM]
	Local Fourier grid dimensions (padded). This counts the complex numbers!
int	splineValuesOffset [DIM]
	Offsets for X/Y/Z components of d_splineModuli.
int	tablesOffsets [DIM]
	Offsets for X/Y/Z components of d_fractShiftsTable and d_gridlineIndicesTable.
int	kOffsets [DIM]
	Offsets for the complex grid in pme_solve.
DeviceBuffer< float >	d_realGrid [2]
	Real space PME grid.
DeviceBuffer< float >	d_fftComplexGrid [2]
	Complex grid - used in FFT/solve. If inplace cu/clFFT is used, then it is the same handle as fftRealGrid.
DeviceBuffer< float >	d_splineModuli [2]
	Grid spline values as in pme->bsp_mod (laid out sequentially (XXX....XYYY......YZZZ.....Z))
DeviceBuffer< float >	d_fractShiftsTable
	Fractional shifts lookup table as in pme->fshx/fshy/fshz, laid out sequentially (XXX....XYYY......YZZZ.....Z)
DeviceBuffer< int >	d_gridlineIndicesTable
	Gridline indices lookup table (modulo lookup table as in pme->nnx/nny/nnz, laid out sequentially (XXX....XYYY......YZZZ.....Z))

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The documentation for this struct was generated from the following file:

• src/gromacs/ewald/pme_gpu_types.h